2-chloro-5,7-difluoro-3-propylquinoline

C12H10ClF2N — CID 63231572

IUPAC2-chloro-5,7-difluoro-3-propylquinoline
SMILESCCCc1cc2c(F)cc(F)cc2nc1Cl
InChIInChI=1S/C12H10ClF2N/c1-2-3-7-4-9-10(15)5-8(14)6-11(9)16-12(7)13/h4-6H,2-3H2,1H3
InChIKeyWASPKAWSFCLMDG-UHFFFAOYSA-N
MW241.67 g/mol
LogP4.12
Rot. Bonds2

About 2-chloro-5,7-difluoro-3-propylquinoline

2-chloro-5,7-difluoro-3-propylquinoline (PubChem CID 63231572) has the molecular formula C12H10ClF2N and a molecular weight of 241.67 g/mol. Its IUPAC name is 2-chloro-5,7-difluoro-3-propylquinoline.

Molecular Properties

Compound Name2-chloro-5,7-difluoro-3-propylquinoline
PubChem CID63231572
Molecular FormulaC12H10ClF2N
Molecular Weight241.67 g/mol
Exact Mass241.05
IUPAC Name2-chloro-5,7-difluoro-3-propylquinoline
SMILESCCCc1cc2c(F)cc(F)cc2nc1Cl
InChIInChI=1S/C12H10ClF2N/c1-2-3-7-4-9-10(15)5-8(14)6-11(9)16-12(7)13/h4-6H,2-3H2,1H3
InChIKeyWASPKAWSFCLMDG-UHFFFAOYSA-N
XLogP4.12
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.67
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,7-difluoro-3-propylquinoline?
The IUPAC name of 2-chloro-5,7-difluoro-3-propylquinoline (CID 63231572) is 2-chloro-5,7-difluoro-3-propylquinoline.
What is the SMILES notation for 2-chloro-5,7-difluoro-3-propylquinoline?
The canonical SMILES for 2-chloro-5,7-difluoro-3-propylquinoline is CCCc1cc2c(F)cc(F)cc2nc1Cl.
What is the InChIKey of 2-chloro-5,7-difluoro-3-propylquinoline?
The InChIKey is WASPKAWSFCLMDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N/c1-2-3-7-4-9-10(15)5-8(14)6-11(9)16-12(7)13/h4-6H,2-3H2,1H3.
What are the key properties of 2-chloro-5,7-difluoro-3-propylquinoline?
2-chloro-5,7-difluoro-3-propylquinoline has a molecular weight of 241.67 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-difluoro-3-propylquinoline is sourced from PubChem (CID 63231572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).